ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione

C157H179F5N18O31 — CID 159177120

IUPACethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCCOC(=O)N1CCN(C(=O)C(=O)c2cn(C(=O)OCC)c3cc(OC)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)CC1.CCOC(=O)n1cc(C(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.CCOC(=O)n1cc(C(=O)C(=O)N2CCNCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCOCC1)cn2C
InChIInChI=1S/C36H43FN4O8.C34H39FN4O8.C31H35FN4O6.C29H32FN3O5.C27H30FN3O4/c1-6-48-35(46)41-22-28(31(42)33(44)39-15-17-40(18-16-39)34(45)49-36(2,3)4)26-20-27(30(47-5)21-29(26)41)32(43)38-13-11-24(12-14-38)19-23-7-9-25(37)10-8-23;1-4-46-33(43)38-16-14-37(15-17-38)32(42)30(40)27-21-39(34(44)47-5-2)28-20-29(45-3)26(19-25(27)28)31(41)36-12-10-23(11-13-36)18-22-6-8-24(35)9-7-22;1-3-42-31(40)36-19-25(28(37)30(39)35-14-10-33-11-15-35)23-17-24(27(41-2)18-26(23)36)29(38)34-12-8-21(9-13-34)16-20-4-6-22(32)7-5-20;1-31-18-24(27(34)29(36)33-11-13-38-14-12-33)22-16-23(26(37-2)17-25(22)31)28(35)32-9-7-20(8-10-32)15-19-3-5-21(30)6-4-19;1-29(2)27(34)25(32)22-16-30(3)23-15-24(35-4)21(14-20(22)23)26(33)31-11-9-18(10-12-31)13-17-5-7-19(28)8-6-17/h7-10,20-22,24H,6,11-19H2,1-5H3;6-9,19-21,23H,4-5,10-18H2,1-3H3;4-7,17-19,21,33H,3,8-16H2,1-2H3;3-6,16-18,20H,7-15H2,1-2H3;5-8,14-16,18H,9-13H2,1-4H3
InChIKeyKMKPLKSGJMXJDA-UHFFFAOYSA-N
MW2909.24 g/mol
LogP20.18
Rot. Bonds34

About ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione

ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 159177120) has the molecular formula C157H179F5N18O31 and a molecular weight of 2909.24 g/mol. Its IUPAC name is ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Nameethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID159177120
Molecular FormulaC157H179F5N18O31
Molecular Weight2909.24 g/mol
Exact Mass2907.29
IUPAC Nameethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCCOC(=O)N1CCN(C(=O)C(=O)c2cn(C(=O)OCC)c3cc(OC)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)CC1.CCOC(=O)n1cc(C(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.CCOC(=O)n1cc(C(=O)C(=O)N2CCNCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCOCC1)cn2C
InChIInChI=1S/C36H43FN4O8.C34H39FN4O8.C31H35FN4O6.C29H32FN3O5.C27H30FN3O4/c1-6-48-35(46)41-22-28(31(42)33(44)39-15-17-40(18-16-39)34(45)49-36(2,3)4)26-20-27(30(47-5)21-29(26)41)32(43)38-13-11-24(12-14-38)19-23-7-9-25(37)10-8-23;1-4-46-33(43)38-16-14-37(15-17-38)32(42)30(40)27-21-39(34(44)47-5-2)28-20-29(45-3)26(19-25(27)28)31(41)36-12-10-23(11-13-36)18-22-6-8-24(35)9-7-22;1-3-42-31(40)36-19-25(28(37)30(39)35-14-10-33-11-15-35)23-17-24(27(41-2)18-26(23)36)29(38)34-12-8-21(9-13-34)16-20-4-6-22(32)7-5-20;1-31-18-24(27(34)29(36)33-11-13-38-14-12-33)22-16-23(26(37-2)17-25(22)31)28(35)32-9-7-20(8-10-32)15-19-3-5-21(30)6-4-19;1-29(2)27(34)25(32)22-16-30(3)23-15-24(35-4)21(14-20(22)23)26(33)31-11-9-18(10-12-31)13-17-5-7-19(28)8-6-17/h7-10,20-22,24H,6,11-19H2,1-5H3;6-9,19-21,23H,4-5,10-18H2,1-3H3;4-7,17-19,21,33H,3,8-16H2,1-2H3;3-6,16-18,20H,7-15H2,1-2H3;5-8,14-16,18H,9-13H2,1-4H3
InChIKeyKMKPLKSGJMXJDA-UHFFFAOYSA-N
XLogP20.18
TPSA518.49 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002909.24
LogP ≤ 520.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate
CID 10129057
Ethyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 10153209
Ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate
CID 10153210
Ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate
CID 10153506
Ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate
CID 10196718
Tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 10218805
Tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate
CID 10240259
Ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 10240264
1-[5-[4-[(4-Fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 10289400
1-(2,5-Dimethylpiperazin-1-yl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione
CID 10289644
ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate
CID 11578129
1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
CID 20763736

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 159177120) is ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione is CCOC(=O)N1CCN(C(=O)C(=O)c2cn(C(=O)OCC)c3cc(OC)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)CC1.CCOC(=O)n1cc(C(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.CCOC(=O)n1cc(C(=O)C(=O)N2CCNCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCOCC1)cn2C.
What is the InChIKey of ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is KMKPLKSGJMXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43FN4O8.C34H39FN4O8.C31H35FN4O6.C29H32FN3O5.C27H30FN3O4/c1-6-48-35(46)41-22-28(31(42)33(44)39-15-17-40(18-16-39)34(45)49-36(2,3)4)26-20-27(30(47-5)21-29(26)41)32(43)38-13-11-24(12-14-38)19-23-7-9-25(37)10-8-23;1-4-46-33(43)38-16-14-37(15-17-38)32(42)30(40)27-21-39(34(44)47-5-2)28-20-29(45-3)26(19-25(27)28)31(41)36-12-10-23(11-13-36)18-22-6-8-24(35)9-7-22;1-3-42-31(40)36-19-25(28(37)30(39)35-14-10-33-11-15-35)23-17-24(27(41-2)18-26(23)36)29(38)34-12-8-21(9-13-34)16-20-4-6-22(32)7-5-20;1-31-18-24(27(34)29(36)33-11-13-38-14-12-33)22-16-23(26(37-2)17-25(22)31)28(35)32-9-7-20(8-10-32)15-19-3-5-21(30)6-4-19;1-29(2)27(34)25(32)22-16-30(3)23-15-24(35-4)21(14-20(22)23)26(33)31-11-9-18(10-12-31)13-17-5-7-19(28)8-6-17/h7-10,20-22,24H,6,11-19H2,1-5H3;6-9,19-21,23H,4-5,10-18H2,1-3H3;4-7,17-19,21,33H,3,8-16H2,1-2H3;3-6,16-18,20H,7-15H2,1-2H3;5-8,14-16,18H,9-13H2,1-4H3.
What are the key properties of ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 2909.24 g/mol, XLogP of 20.18, 34 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate;ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 159177120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).